Molecule

ID:127926

General Information
Structure
MolImage
Molecular Formula
C₁₈H₁₆O₈
Molecular Mass
360.31484
Exact Mass
360.08451747
Charge
0
InChI
InChI=1S/C18H16O8/c1-23-11-6-8(4-5-9(11)19)16-18(25-3)15(22)13-12(26-16)7-10(20)17(24-2)14(13)21/h4-7,19-21H,1-3H3
InChIKey
XUWTZJRCCPNNJR-UHFFFAOYSA-N
Canonic Smiles
COc1cc(ccc1O)c1oc2cc(O)c(c(c2c(=O)c1OC)O)OC
Isomeric Smiles
COc1c(ccc(c1)c1c(c(=O)c2c(c(c(cc2o1)O)OC)O)OC)O
Calculated Properties
JChem
Acid pKa
6.963157
H Acceptors
8
H Donor
3
LogD (pH = 5.5)
2.2427695
LogD (pH = 7.4)
1.685581
Log P
2.2573497
Molar Refractivity
92.5589
Polarizability
34.760414
Polar Surface Area
114.68
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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